Error while running Bandstructure Workflow

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Bishal

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Mar 5, 2019, 12:41:22 PM3/5/19

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Hi everyone,

I am new to atomate. I managed to install atomate in stampede2 and was successfully able to run Gibbs Free Energy workflows as mentioned in tutorial. I got the final plot without any error messages. Meanwhile, running bandstructure workflows from the same tutorial gives me following error:

Traceback (most recent call last):

File "/work/06113/tg854123/stampede2/miniconda3/envs/atomate_env/lib/python3.7/site-packages/fireworks/core/rocket.py", line 262, in run

m_action = t.run_task(my_spec)

File "/work/06113/tg854123/stampede2/miniconda3/envs/atomate_env/lib/python3.7/site-packages/atomate/vasp/firetasks/run_calc.py", line 204, in run_task

c.run()

File "/work/06113/tg854123/stampede2/miniconda3/envs/atomate_env/lib/python3.7/site-packages/custodian/custodian.py", line 328, in run

self._run_job(job_n, job)

File "/work/06113/tg854123/stampede2/miniconda3/envs/atomate_env/lib/python3.7/site-packages/custodian/custodian.py", line 399, in _run_job

p = job.run()

File "/work/06113/tg854123/stampede2/miniconda3/envs/atomate_env/lib/python3.7/site-packages/custodian/vasp/jobs.py", line 213, in run

p = subprocess.Popen(cmd, stdout=f_std, stderr=f_err)

File "/work/06113/tg854123/stampede2/miniconda3/envs/atomate_env/lib/python3.7/subprocess.py", line 769, in __init__

restore_signals, start_new_session)

File "/work/06113/tg854123/stampede2/miniconda3/envs/atomate_env/lib/python3.7/subprocess.py", line 1516, in _execute_child

raise child_exception_type(errno_num, err_msg, err_filename)

FileNotFoundError: [Errno 2] No such file or directory: 'vasp': 'vasp'